#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upm s GLN 2 N 0.00 3.11 -0.24 2.12 0.74 -1.26 -5.09 119.66 119.05 1upm s GLN 2 Ca 0.00 -0.35 -0.14 0.00 0.05 0.00 0.00 55.36 54.92 1upm s GLN 2 Cb 0.00 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 1upm s GLN 2 CO 0.00 0.70 0.30 0.08 -0.55 0.00 0.00 175.29 175.82 1upm s VAL 3 N -0.86 5.25 -0.11 1.34 1.01 -1.26 -5.03 120.40 120.74 1upm s VAL 3 Ca 0.13 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1upm s VAL 3 Cb -0.12 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1upm s VAL 3 CO 0.03 0.25 1.65 0.86 0.00 0.00 0.00 175.10 177.89 1upm s TRP 4 N 1.48 2.01 1.07 5.22 -0.11 -1.26 -4.96 118.94 122.40 1upm s TRP 4 Ca 0.13 0.34 -0.16 0.00 1.22 0.00 0.00 56.10 57.63 1upm s TRP 4 Cb -0.15 -3.92 0.11 0.00 -1.50 0.00 0.00 33.47 28.01 1upm s TRP 4 CO 0.08 -3.51 0.28 -2.30 -4.62 0.00 0.00 176.95 166.87 1upm n PRO 5 N 7.33 -1.26 0.00 5.86 -0.02 -1.26 -5.00 135.00 140.65 1upm n PRO 5 Ca 0.18 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1upm n PRO 5 Cb 0.44 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1upm n PRO 5 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1upm n ILE 6 N -4.23 0.00 -4.16 4.25 0.13 -1.26 -4.93 119.36 109.16 1upm n ILE 6 Ca 0.03 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.33 1upm n ILE 6 Cb 0.58 -0.62 -0.09 0.00 -0.84 0.00 0.00 39.64 38.68 1upm n ILE 6 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1upm s LEU 7 N -3.66 3.83 -1.37 9.51 1.43 -1.26 -4.29 118.68 122.87 1upm s LEU 7 Ca 0.00 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1upm s LEU 7 Cb 0.00 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1upm s LEU 7 CO 0.00 0.33 0.49 0.59 0.23 0.00 0.00 176.35 177.99 1upm n ASN 8 N 2.47 -0.64 -2.01 2.29 5.03 -1.26 -4.88 115.26 116.26 1upm n ASN 8 Ca -0.18 -0.97 -0.16 0.00 0.87 0.00 0.00 54.58 54.14 1upm n ASN 8 Cb 0.54 -3.28 0.05 0.00 -1.02 0.00 0.00 39.78 36.06 1upm n ASN 8 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1upm n LEU 9 N -4.37 3.96 -4.77 3.41 7.99 -1.26 -5.06 117.00 116.90 1upm n LEU 9 Ca -0.30 -4.26 -0.40 0.00 -0.01 0.00 0.00 56.01 51.03 1upm n LEU 9 Cb 0.68 -0.20 -0.01 0.00 -0.11 0.00 0.00 43.42 43.79 1upm n LEU 9 CO 0.73 1.79 1.03 -0.54 -1.51 0.00 0.00 177.39 178.90 1upm s LYS 10 N -3.50 4.08 0.37 3.23 -0.14 -1.26 -5.03 119.74 117.49 1upm s LYS 10 Ca 0.45 2.34 0.05 0.00 -1.36 0.00 0.00 55.97 57.45 1upm s LYS 10 Cb 0.39 -2.90 -0.07 0.00 -1.68 0.00 0.00 37.83 33.57 1upm s LYS 10 CO 0.01 -0.46 0.03 0.15 -0.76 0.00 0.00 175.35 174.32 1upm s LYS 11 N -2.10 1.80 -0.13 1.68 -0.14 -1.26 -5.09 119.74 114.51 1upm s LYS 11 Ca 0.54 -2.01 0.22 0.00 -1.36 0.00 0.00 55.97 53.36 1upm s LYS 11 Cb -0.42 -1.24 0.46 0.00 -1.68 0.00 0.00 37.83 34.95 1upm s LYS 11 CO 0.55 -0.12 1.16 0.66 -0.76 0.00 0.00 175.35 176.84 1upm n TYR 12 N -0.82 0.63 -4.86 3.18 4.02 -1.26 -5.10 117.16 112.95 1upm n TYR 12 Ca -0.04 -1.29 0.00 0.00 -0.01 0.00 0.00 57.90 56.57 1upm n TYR 12 Cb 0.67 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1upm n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1upm n GLU 13 N -0.13 0.00 -1.66 -0.72 -0.58 -1.26 -4.57 120.64 111.72 1upm n GLU 13 Ca 0.10 0.00 -0.50 0.00 -0.42 0.00 0.00 57.16 56.34 1upm n GLU 13 Cb 0.97 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.79 1upm n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1upm n THR 14 N 0.00 0.23 -0.16 2.62 -1.04 -1.26 -1.56 114.28 113.11 1upm n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1upm n THR 14 Cb 0.00 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 1upm n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upm n LEU 15 N 4.57 0.00 -0.00 -4.42 4.77 -1.26 -4.61 117.00 116.04 1upm n LEU 15 Ca 0.21 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.32 1upm n LEU 15 Cb 0.24 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.91 1upm n LEU 15 CO 0.69 0.00 0.90 -1.54 -1.33 0.00 0.00 177.39 176.11 1upm n SER 16 N 0.00 0.08 -0.35 -1.43 3.41 -0.60 -1.73 113.62 112.99 1upm n SER 16 Ca 0.00 0.34 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 1upm n SER 16 Cb 0.00 -0.38 0.60 0.00 -0.26 0.00 0.00 64.21 64.17 1upm n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1upm n TYR 17 N -1.48 0.04 -2.79 7.33 4.02 -1.26 -4.85 117.16 118.17 1upm n TYR 17 Ca 0.07 -0.02 -0.22 0.00 -0.01 0.00 0.00 57.90 57.72 1upm n TYR 17 Cb 0.33 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.68 1upm n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1upm s LEU 18 N -1.89 3.44 0.82 7.72 1.43 -0.71 -5.08 118.68 124.41 1upm s LEU 18 Ca 0.38 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 1upm s LEU 18 Cb 0.20 -3.03 0.09 0.00 0.03 0.00 0.00 46.19 43.48 1upm s LEU 18 CO 0.32 -0.94 1.19 -2.65 0.23 0.00 0.00 176.35 174.50 1upm n PRO 19 N -2.23 0.14 -1.67 1.29 -0.02 -1.26 -4.90 135.00 126.36 1upm n PRO 19 Ca 0.05 0.13 -0.45 0.00 -2.02 0.00 0.00 63.50 61.20 1upm n PRO 19 Cb 0.59 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1upm n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1upm n PRO 20 N -3.30 2.02 -1.69 0.52 -0.02 -1.26 -4.87 135.00 126.40 1upm n PRO 20 Ca 0.13 0.72 -0.44 0.00 -2.02 0.00 0.00 63.50 61.90 1upm n PRO 20 Cb 0.50 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1upm n PRO 20 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1upm n LEU 21 N 2.18 3.75 -4.76 2.45 4.77 -1.26 -5.00 117.00 119.12 1upm n LEU 21 Ca 0.12 1.03 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 1upm n LEU 21 Cb 0.31 -1.51 0.13 0.00 -2.33 0.00 0.00 43.42 40.02 1upm n LEU 21 CO 0.63 0.04 0.69 0.42 -1.33 0.00 0.00 177.39 177.84 1upm s THR 22 N 1.91 2.34 0.25 -5.08 -4.23 -1.26 -4.81 115.64 104.75 1upm s THR 22 Ca 0.80 0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 1upm s THR 22 Cb -0.56 -2.78 0.25 0.00 1.34 0.00 0.00 72.50 70.76 1upm s THR 22 CO 0.37 -0.14 1.92 0.71 -0.54 0.00 0.00 174.62 176.93 1upm h THR 23 N -1.48 1.26 -0.85 3.99 1.35 -1.99 -0.27 112.91 114.91 1upm h THR 23 Ca -0.50 -0.50 -0.03 0.00 -0.55 0.00 0.00 66.41 64.82 1upm h THR 23 Cb 1.31 -0.18 -0.04 0.00 -1.73 0.00 0.00 68.15 67.51 1upm h THR 23 CO 0.60 0.26 0.40 0.44 -0.25 0.00 0.00 175.52 176.97 1upm h ASP 24 N 1.35 1.12 -0.58 5.36 3.32 -1.99 -1.42 116.42 123.57 1upm h ASP 24 Ca 0.36 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1upm h ASP 24 Cb -0.13 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.12 1upm h ASP 24 CO -0.07 0.94 -0.04 1.56 -1.72 0.00 0.00 179.24 179.91 1upm h GLN 25 N 1.21 1.05 0.03 3.56 4.20 -1.69 -2.06 115.11 121.41 1upm h GLN 25 Ca 0.29 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1upm h GLN 25 Cb 0.12 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1upm h GLN 25 CO -0.04 1.05 -0.07 1.25 -0.67 0.00 0.00 178.83 180.36 1upm h LEU 26 N 0.94 -0.19 -0.94 1.46 5.85 -1.00 -2.60 115.31 118.82 1upm h LEU 26 Ca 0.16 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.11 1upm h LEU 26 Cb 0.61 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.60 1upm h LEU 26 CO 0.04 -0.11 0.51 0.00 -0.34 0.00 0.00 178.44 178.54 1upm h ALA 27 N 0.83 1.56 -0.02 1.25 0.00 -1.15 -1.83 119.26 119.90 1upm h ALA 27 Ca 0.02 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1upm h ALA 27 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1upm h ALA 27 CO -0.05 -0.20 -0.64 0.00 0.00 0.00 0.00 179.25 178.36 1upm h ARG 28 N 0.58 0.08 -0.46 0.00 3.08 -1.04 -1.14 114.38 115.48 1upm h ARG 28 Ca 0.57 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.45 1upm h ARG 28 Cb 0.98 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1upm h ARG 28 CO -0.45 0.69 -0.15 1.96 -1.07 0.00 0.00 179.97 180.95 1upm h GLN 29 N 0.06 0.92 -0.29 0.04 1.08 -0.99 -1.21 115.11 114.72 1upm h GLN 29 Ca -0.01 -0.37 -0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1upm h GLN 29 Cb 1.14 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1upm h GLN 29 CO 0.09 1.03 0.16 0.28 -0.95 0.00 0.00 178.83 179.44 1upm h VAL 30 N 0.77 1.12 -0.66 -0.54 2.07 -1.29 -1.95 116.25 115.77 1upm h VAL 30 Ca 0.11 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.41 1upm h VAL 30 Cb 0.71 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1upm h VAL 30 CO 0.05 0.12 0.29 0.44 0.02 0.00 0.00 177.57 178.49 1upm h ASP 31 N 0.36 0.33 -0.86 0.57 3.32 -1.06 -0.19 116.42 118.89 1upm h ASP 31 Ca 0.10 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1upm h ASP 31 Cb 0.05 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1upm h ASP 31 CO -0.02 0.19 0.57 0.22 -1.72 0.00 0.00 179.24 178.48 1upm h TYR 32 N 0.49 1.08 -0.06 4.55 3.20 -0.91 0.39 116.97 125.71 1upm h TYR 32 Ca 0.33 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 1upm h TYR 32 Cb 0.38 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1upm h TYR 32 CO -0.14 0.68 0.01 1.25 -1.64 0.00 0.00 178.16 178.31 1upm h LEU 33 N 1.16 0.10 -0.92 2.82 5.85 -0.57 -2.72 115.31 121.03 1upm h LEU 33 Ca 0.32 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1upm h LEU 33 Cb -0.13 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1upm h LEU 33 CO -0.07 0.35 0.10 -0.07 -0.34 0.00 0.00 178.44 178.41 1upm h LEU 34 N -0.15 0.84 -1.74 2.25 3.38 -0.80 -2.80 115.31 116.30 1upm h LEU 34 Ca 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1upm h LEU 34 Cb 0.29 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1upm h LEU 34 CO 0.00 0.85 -0.15 0.78 0.09 0.00 0.00 178.44 180.01 1upm h ASN 35 N 0.85 0.00 -0.13 -0.43 2.35 -0.16 0.40 115.58 118.45 1upm h ASN 35 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1upm h ASN 35 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1upm h ASN 35 CO 0.01 0.15 0.00 0.59 -1.65 0.00 0.00 177.43 176.53 1upm n ASN 36 N -3.63 1.55 -2.78 5.81 3.02 -1.03 -4.94 115.26 113.25 1upm n ASN 36 Ca -0.01 -1.65 -0.17 0.00 -0.03 0.00 0.00 54.58 52.71 1upm n ASN 36 Cb 0.28 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1upm n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1upm n LYS 37 N 0.23 -5.78 -3.84 3.52 5.02 0.13 -5.01 118.16 112.44 1upm n LYS 37 Ca 0.17 0.61 -0.30 0.00 -2.02 0.00 0.00 58.31 56.77 1upm n LYS 37 Cb 0.32 -4.99 -0.04 0.00 -0.02 0.00 0.00 35.03 30.30 1upm n LYS 37 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1upm s TRP 38 N -3.24 3.50 -0.21 2.13 0.51 -1.08 -4.95 118.94 115.61 1upm s TRP 38 Ca 0.39 0.31 -0.23 0.00 -2.12 0.00 0.00 56.10 54.45 1upm s TRP 38 Cb -0.17 -1.81 -0.02 0.00 -0.81 0.00 0.00 33.47 30.66 1upm s TRP 38 CO 0.54 0.51 0.72 0.08 -0.51 0.00 0.00 176.95 178.29 1upm s VAL 39 N -1.64 4.94 0.39 4.03 1.01 -0.30 -4.64 120.40 124.20 1upm s VAL 39 Ca 0.37 1.37 -0.24 0.00 0.00 0.00 0.00 61.98 63.48 1upm s VAL 39 Cb -0.12 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1upm s VAL 39 CO 0.28 0.04 0.99 -2.16 0.00 0.00 0.00 175.10 174.25 1upm s PRO 40 N 2.24 4.28 -0.05 2.72 0.04 -1.26 0.09 135.00 143.06 1upm s PRO 40 Ca 0.32 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1upm s PRO 40 Cb -0.16 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.90 1upm s PRO 40 CO 0.10 -0.01 0.26 0.00 0.04 0.00 0.00 177.00 177.39 1upm s LEU 42 N -0.76 4.08 0.00 0.00 1.02 -1.26 -0.89 118.68 120.87 1upm s LEU 42 Ca -0.08 0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.27 1upm s LEU 42 Cb -0.04 -2.50 -0.01 0.00 0.02 0.00 0.00 46.19 43.66 1upm s LEU 42 CO 0.02 0.24 -0.03 -1.61 0.02 0.00 0.00 176.35 174.99 1upm s GLU 43 N -2.01 0.22 0.13 1.70 2.02 -0.86 -1.40 118.70 118.50 1upm s GLU 43 Ca 0.27 -0.20 -0.00 0.00 0.02 0.00 0.00 54.97 55.06 1upm s GLU 43 Cb -0.12 -0.15 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1upm s GLU 43 CO 0.19 0.04 0.02 -0.59 0.02 0.00 0.00 175.26 174.93 1upm s PHE 44 N -0.33 0.91 -0.28 1.61 -0.71 -0.30 -1.16 117.98 117.71 1upm s PHE 44 Ca -0.02 -1.12 -0.16 0.00 -1.04 0.00 0.00 56.93 54.59 1upm s PHE 44 Cb -0.03 -0.53 0.09 0.00 -1.21 0.00 0.00 43.02 41.35 1upm s PHE 44 CO -0.00 -0.38 0.74 -2.00 -1.34 0.00 0.00 175.22 172.23 1upm s GLU 45 N -3.97 0.64 -0.08 1.99 2.56 -0.61 -1.11 118.70 118.12 1upm s GLU 45 Ca 0.20 1.15 0.12 0.00 0.00 0.00 0.00 54.97 56.44 1upm s GLU 45 Cb 0.07 0.18 -0.17 0.00 2.00 0.00 0.00 34.13 36.21 1upm s GLU 45 CO 0.00 -0.14 0.14 0.25 -0.56 0.00 0.00 175.26 174.94 1upm n THR 46 N 4.31 0.52 -0.10 -1.70 -2.24 -1.26 -0.63 114.28 113.18 1upm n THR 46 Ca -0.19 -0.43 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 1upm n THR 46 Cb 0.58 -0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1upm n THR 46 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1upm n ASP 47 N -2.26 1.56 -4.00 3.42 8.00 -1.26 -4.78 116.55 117.23 1upm n ASP 47 Ca -0.13 0.27 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 1upm n ASP 47 Cb 0.69 -0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 1upm n ASP 47 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1upm s HIS 48 N -2.44 3.52 0.47 1.24 3.76 -1.26 -4.94 115.29 115.63 1upm s HIS 48 Ca -0.29 -3.11 0.13 0.00 -0.15 0.00 0.00 55.06 51.64 1upm s HIS 48 Cb 0.11 -2.96 1.09 0.00 1.11 0.00 0.00 32.58 31.92 1upm s HIS 48 CO 0.38 -0.69 2.07 0.78 -0.85 0.00 0.00 174.74 176.42 1upm h GLY 49 N 6.13 0.12 -2.15 -2.22 0.00 -1.89 -3.44 103.07 99.61 1upm h GLY 49 Ca 0.06 -0.05 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 1upm h GLY 49 CO 0.74 0.05 -0.72 -1.36 0.00 0.00 0.00 176.54 175.25 1upm s PHE 50 N -5.00 2.25 0.47 5.60 0.08 -1.26 -5.12 117.98 114.99 1upm s PHE 50 Ca -0.05 -0.44 -0.21 0.00 0.12 0.00 0.00 56.93 56.34 1upm s PHE 50 Cb 0.17 -1.11 -0.08 0.00 -0.57 0.00 0.00 43.02 41.42 1upm s PHE 50 CO 0.69 0.61 1.07 0.54 -0.10 0.00 0.00 175.22 178.03 1upm s VAL 51 N -2.63 3.60 0.34 -0.44 0.11 -1.26 -4.77 120.40 115.36 1upm s VAL 51 Ca 0.30 1.08 -0.09 0.00 -2.93 0.00 0.00 61.98 60.34 1upm s VAL 51 Cb -0.01 -3.48 0.02 0.00 -1.53 0.00 0.00 36.38 31.37 1upm s VAL 51 CO 0.14 -0.13 0.60 -0.72 -3.33 0.00 0.00 175.10 171.66 1upm s TYR 52 N -1.81 0.58 -0.50 1.54 1.13 -0.45 -4.99 117.35 112.84 1upm s TYR 52 Ca 0.65 -0.99 0.04 0.00 -1.41 0.00 0.00 57.07 55.36 1upm s TYR 52 Cb -0.20 0.31 0.16 0.00 -1.10 0.00 0.00 41.96 41.13 1upm s TYR 52 CO 0.25 -1.27 0.36 1.03 -2.51 0.00 0.00 175.55 173.40 1upm s ARG 53 N -2.98 1.41 -0.22 -3.49 0.52 -1.26 -0.12 118.95 112.82 1upm s ARG 53 Ca 0.23 -2.40 -0.18 0.00 -0.52 0.00 0.00 55.73 52.86 1upm s ARG 53 Cb -0.02 -2.17 -0.18 0.00 0.52 0.00 0.00 34.95 33.09 1upm s ARG 53 CO 0.15 -1.30 0.09 -1.91 0.02 0.00 0.00 175.30 172.34 1upm n GLU 54 N 2.80 0.59 0.02 3.54 2.13 -1.26 -4.69 120.64 123.77 1upm n GLU 54 Ca 0.22 0.46 0.11 0.00 0.66 0.00 0.00 57.16 58.61 1upm n GLU 54 Cb 0.41 -1.68 0.04 0.00 0.27 0.00 0.00 31.44 30.48 1upm n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1upm n HIS 55 N -4.26 0.22 -3.79 4.31 8.25 -1.26 -4.99 115.22 113.70 1upm n HIS 55 Ca -0.38 0.06 -0.06 0.00 -0.26 0.00 0.00 57.72 57.09 1upm n HIS 55 Cb 0.77 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 1upm n HIS 55 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1upm s HIS 56 N -3.16 -0.18 0.00 4.41 2.46 -1.26 -5.08 115.29 112.48 1upm s HIS 56 Ca 0.05 -0.20 0.00 0.00 0.47 0.00 0.00 55.06 55.38 1upm s HIS 56 Cb 0.15 0.67 0.00 0.00 -0.13 0.00 0.00 32.58 33.27 1upm s HIS 56 CO 0.79 -1.04 0.11 0.09 -2.47 0.00 0.00 174.74 172.22 1upm n ASN 57 N -0.46 0.00 -4.79 9.88 3.02 -1.26 -4.83 115.26 116.82 1upm n ASN 57 Ca -0.05 -1.00 -0.30 0.00 -0.03 0.00 0.00 54.58 53.20 1upm n ASN 57 Cb 0.60 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.87 1upm n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1upm s SER 58 N 0.00 4.28 -0.01 6.41 1.04 -1.26 -4.90 113.70 119.26 1upm s SER 58 Ca 0.00 1.28 -0.36 0.00 0.48 0.00 0.00 55.95 57.34 1upm s SER 58 Cb 0.00 -1.99 -0.15 0.00 0.10 0.00 0.00 66.02 63.99 1upm s SER 58 CO 0.00 -2.10 1.58 -2.65 0.98 0.00 0.00 173.24 171.05 1upm n PRO 59 N -3.51 1.58 -0.67 4.02 -0.02 -1.26 -2.04 135.00 133.10 1upm n PRO 59 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1upm n PRO 59 Cb 0.57 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1upm n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upm n GLY 60 N 3.44 0.91 3.63 -1.23 0.00 -1.26 -5.02 105.19 105.66 1upm n GLY 60 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1upm n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1upm s TYR 61 N -3.36 3.29 0.01 1.61 6.14 -0.87 -5.08 117.35 119.09 1upm s TYR 61 Ca 0.00 0.37 0.01 0.00 0.64 0.00 0.00 57.07 58.09 1upm s TYR 61 Cb 0.00 -2.45 -0.01 0.00 0.42 0.00 0.00 41.96 39.92 1upm s TYR 61 CO 0.00 -0.08 -0.04 0.71 0.64 0.00 0.00 175.55 176.78 1upm s TYR 62 N 1.54 0.33 0.57 4.97 2.02 -1.26 -4.75 117.35 120.77 1upm s TYR 62 Ca 0.13 -0.22 -0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1upm s TYR 62 Cb -0.15 -0.21 -0.00 0.00 -0.40 0.00 0.00 41.96 41.20 1upm s TYR 62 CO 0.08 -0.05 0.88 -0.51 -1.57 0.00 0.00 175.55 174.38 1upm s ASP 63 N -0.60 5.75 0.00 2.29 1.01 0.83 -4.46 116.67 121.48 1upm s ASP 63 Ca -0.04 0.77 0.00 0.00 0.71 0.00 0.00 52.55 53.99 1upm s ASP 63 Cb -0.04 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1upm s ASP 63 CO -0.00 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.03 1upm n GLY 64 N -2.52 0.89 0.14 0.21 0.00 -1.26 -1.34 105.19 101.32 1upm n GLY 64 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1upm n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1upm h ARG 65 N 3.83 0.47 -6.42 1.61 3.08 -1.93 -3.43 114.38 111.59 1upm h ARG 65 Ca 0.00 -0.67 -0.54 0.00 0.07 0.00 0.00 59.98 58.84 1upm h ARG 65 Cb 0.00 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1upm h ARG 65 CO 0.00 1.29 0.53 0.71 -1.07 0.00 0.00 179.97 181.43 1upm s TYR 66 N -2.80 3.46 0.05 3.04 2.02 -1.26 -5.05 117.35 116.80 1upm s TYR 66 Ca -0.11 1.41 0.01 0.00 -0.37 0.00 0.00 57.07 58.00 1upm s TYR 66 Cb 0.03 -3.32 0.01 0.00 -0.40 0.00 0.00 41.96 38.27 1upm s TYR 66 CO 0.88 -0.88 0.05 0.91 -1.57 0.00 0.00 175.55 174.94 1upm n TRP 67 N 4.22 -2.21 -4.50 2.71 7.02 -1.26 -5.10 117.44 118.32 1upm n TRP 67 Ca 0.08 -0.18 -0.34 0.00 -1.02 0.00 0.00 57.50 56.04 1upm n TRP 67 Cb 0.48 -0.04 -0.10 0.00 -2.42 0.00 0.00 31.31 29.22 1upm n TRP 67 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1upm s THR 68 N 0.26 4.00 0.11 -0.99 -1.32 -0.26 -4.90 115.64 112.53 1upm s THR 68 Ca 0.04 -0.38 -0.31 0.00 -1.21 0.00 0.00 61.69 59.83 1upm s THR 68 Cb -0.00 -2.66 -0.07 0.00 -1.51 0.00 0.00 72.50 68.26 1upm s THR 68 CO 0.02 0.59 1.24 -0.32 -2.21 0.00 0.00 174.62 173.95 1upm s MET 69 N -0.87 4.42 -0.37 7.08 1.75 -1.26 -1.15 119.30 128.90 1upm s MET 69 Ca 0.13 1.86 -0.23 0.00 -1.25 0.00 0.00 55.69 56.20 1upm s MET 69 Cb -0.11 -3.30 0.01 0.00 2.84 0.00 0.00 34.83 34.27 1upm s MET 69 CO 0.02 -0.25 0.78 -0.46 -0.65 0.00 0.00 175.02 174.46 1upm s TRP 70 N 0.77 3.10 0.00 4.11 -0.11 -0.49 -4.90 118.94 121.41 1upm s TRP 70 Ca 0.58 0.51 0.00 0.00 1.22 0.00 0.00 56.10 58.41 1upm s TRP 70 Cb -0.32 -3.42 0.00 0.00 -1.50 0.00 0.00 33.47 28.23 1upm s TRP 70 CO 0.31 -0.75 0.00 1.63 -4.62 0.00 0.00 176.95 173.52 1upm n LYS 71 N 6.44 0.00 -4.39 5.86 5.02 -1.26 -4.54 118.16 125.28 1upm n LYS 71 Ca 0.03 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 1upm n LYS 71 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1upm n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1upm s LEU 72 N 0.00 2.45 0.33 -0.35 1.43 -1.26 -5.09 118.68 116.19 1upm s LEU 72 Ca 0.00 -1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 51.66 1upm s LEU 72 Cb 0.00 -0.58 -0.13 0.00 0.03 0.00 0.00 46.19 45.51 1upm s LEU 72 CO 0.00 -0.34 1.17 -2.65 0.23 0.00 0.00 176.35 174.76 1upm n PRO 73 N -0.51 1.79 -2.39 1.29 -0.02 -1.26 -4.80 135.00 129.10 1upm n PRO 73 Ca -0.06 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1upm n PRO 73 Cb 0.63 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1upm n PRO 73 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1upm n MET 74 N 0.56 3.55 -1.91 -0.52 2.81 -0.38 -4.97 117.12 116.26 1upm n MET 74 Ca 0.07 -3.52 -0.41 0.00 -1.81 0.00 0.00 57.70 52.03 1upm n MET 74 Cb 0.35 -2.96 -0.01 0.00 -0.71 0.00 0.00 33.22 29.89 1upm n MET 74 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1upm s PHE 75 N 0.71 2.76 0.00 2.03 0.08 -1.26 -1.93 117.98 120.37 1upm s PHE 75 Ca 0.40 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.69 1upm s PHE 75 Cb 0.08 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 1upm s PHE 75 CO 0.00 -2.63 0.00 0.41 -0.10 0.00 0.00 175.22 172.90 1upm n GLY 76 N 0.69 0.25 3.73 4.36 0.00 -1.26 -5.00 105.19 107.97 1upm n GLY 76 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1upm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upm n THR 78 N 2.97 0.10 -4.07 0.00 -2.24 -1.26 -4.99 114.28 104.80 1upm n THR 78 Ca 0.08 -0.32 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 1upm n THR 78 Cb 0.41 1.32 -0.15 0.00 -2.10 0.00 0.00 70.33 69.81 1upm n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1upm s ASP 79 N -0.10 3.84 0.57 3.42 2.15 -1.26 -5.00 116.67 120.29 1upm s ASP 79 Ca 0.00 -1.08 0.26 0.00 0.43 0.00 0.00 52.55 52.16 1upm s ASP 79 Cb 0.00 -1.46 1.63 0.00 -0.30 0.00 0.00 42.92 42.79 1upm s ASP 79 CO 0.00 -0.13 2.18 1.55 -0.17 0.00 0.00 175.17 178.60 1upm h PRO 80 N 7.86 0.00 -0.24 4.34 0.13 -1.96 -1.37 132.00 140.77 1upm h PRO 80 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 1upm h PRO 80 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1upm h PRO 80 CO 0.51 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.19 1upm h ALA 81 N 1.93 1.40 0.24 -0.56 0.00 -1.99 -2.18 119.26 118.10 1upm h ALA 81 Ca 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1upm h ALA 81 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1upm h ALA 81 CO -0.00 0.42 -0.20 1.96 0.00 0.00 0.00 179.25 181.43 1upm h GLN 82 N 0.36 -0.44 -0.29 0.00 4.20 -1.68 -0.35 115.11 116.92 1upm h GLN 82 Ca 0.07 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.87 1upm h GLN 82 Cb 0.40 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 1upm h GLN 82 CO 0.02 -0.29 -0.07 0.28 -0.67 0.00 0.00 178.83 178.10 1upm h VAL 83 N -0.46 0.71 -0.15 -0.54 2.07 -1.60 0.23 116.25 116.52 1upm h VAL 83 Ca -0.01 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1upm h VAL 83 Cb 0.41 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1upm h VAL 83 CO -0.02 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.37 1upm h LEU 84 N 0.01 0.23 -0.29 2.57 3.38 -1.36 -1.02 115.31 118.82 1upm h LEU 84 Ca 0.14 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1upm h LEU 84 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1upm h LEU 84 CO -0.30 0.39 -0.11 -1.13 0.09 0.00 0.00 178.44 177.38 1upm h ASN 85 N 0.23 0.60 -0.86 -0.43 -0.73 -0.31 -2.07 115.58 112.01 1upm h ASN 85 Ca 0.05 -0.39 -0.01 0.00 1.87 0.00 0.00 56.30 57.81 1upm h ASN 85 Cb 0.38 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.77 1upm h ASN 85 CO 0.02 0.85 0.49 -0.33 -0.37 0.00 0.00 177.43 178.10 1upm h GLU 86 N 0.34 1.18 -0.78 6.67 4.39 -0.63 -1.01 114.58 124.74 1upm h GLU 86 Ca 0.07 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1upm h GLU 86 Cb 0.61 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1upm h GLU 86 CO 0.04 0.85 0.52 1.25 -1.16 0.00 0.00 179.01 180.50 1upm h LEU 87 N 1.20 0.88 -0.99 1.33 5.85 -1.12 0.17 115.31 122.63 1upm h LEU 87 Ca 0.31 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1upm h LEU 87 Cb -0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1upm h LEU 87 CO -0.05 0.63 0.05 -0.33 -0.34 0.00 0.00 178.44 178.40 1upm h GLU 88 N 1.04 0.78 -0.26 1.25 4.39 -0.82 -1.31 114.58 119.65 1upm h GLU 88 Ca 0.29 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 1upm h GLU 88 Cb -0.09 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1upm h GLU 88 CO -0.07 0.75 -0.14 1.49 -1.16 0.00 0.00 179.01 179.88 1upm h GLU 89 N 0.74 0.54 -0.40 2.33 4.81 -0.07 -2.27 114.58 120.26 1upm h GLU 89 Ca 0.15 -0.24 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1upm h GLU 89 Cb 0.38 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1upm h GLU 89 CO 0.01 0.81 0.19 0.00 -0.73 0.00 0.00 179.01 179.29 1upm h LYS 91 N 0.38 1.22 -0.38 0.00 1.57 -1.18 0.20 116.57 118.38 1upm h LYS 91 Ca 0.17 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 1upm h LYS 91 Cb 0.10 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1upm h LYS 91 CO -0.13 0.81 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.15 1upm h LYS 92 N 1.26 0.71 0.07 3.15 3.64 -1.08 -2.47 116.57 121.86 1upm h LYS 92 Ca 0.37 -0.26 -0.26 0.00 -1.27 0.00 0.00 60.65 59.23 1upm h LYS 92 Cb -0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1upm h LYS 92 CO -0.11 0.85 -1.27 1.49 -2.27 0.00 0.00 179.45 178.14 1upm h GLU 93 N 0.63 0.16 -2.23 1.90 4.81 -0.94 -3.40 114.58 115.51 1upm h GLU 93 Ca 0.10 -0.27 -0.59 0.00 -0.13 0.00 0.00 59.36 58.48 1upm h GLU 93 Cb 0.66 0.10 -0.40 0.00 0.63 0.00 0.00 28.75 29.74 1upm h GLU 93 CO 0.05 1.06 -0.84 0.66 -0.73 0.00 0.00 179.01 179.21 1upm n TYR 94 N -3.41 1.49 0.36 0.92 4.01 0.65 -4.92 117.16 116.25 1upm n TYR 94 Ca -0.08 -3.84 0.14 0.00 -0.16 0.00 0.00 57.90 53.96 1upm n TYR 94 Cb 1.00 -0.39 0.56 0.00 -0.31 0.00 0.00 39.34 40.21 1upm n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1upm h PRO 95 N 4.41 0.00 -0.27 -0.72 0.13 -1.66 -2.33 132.00 131.55 1upm h PRO 95 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1upm h PRO 95 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1upm h PRO 95 CO 0.62 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.66 1upm n ASN 96 N -2.54 3.05 -4.84 1.44 6.94 -1.26 -4.52 115.26 113.52 1upm n ASN 96 Ca 0.02 -1.94 -0.23 0.00 -0.02 0.00 0.00 54.58 52.40 1upm n ASN 96 Cb 0.26 -0.17 -0.04 0.00 -2.36 0.00 0.00 39.78 37.47 1upm n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1upm s ALA 97 N -1.66 3.65 0.08 -2.53 0.00 -0.88 -4.77 121.76 115.65 1upm s ALA 97 Ca 0.36 -1.30 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 1upm s ALA 97 Cb 0.21 -1.41 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 1upm s ALA 97 CO 0.31 0.35 0.86 -0.06 0.00 0.00 0.00 175.76 177.22 1upm s PHE 98 N -1.96 3.77 -0.11 0.00 0.08 0.20 -3.66 117.98 116.31 1upm s PHE 98 Ca 0.32 1.63 0.02 0.00 0.12 0.00 0.00 56.93 59.02 1upm s PHE 98 Cb -0.09 -2.93 0.01 0.00 -0.57 0.00 0.00 43.02 39.45 1upm s PHE 98 CO 0.25 0.25 -0.15 0.42 -0.10 0.00 0.00 175.22 175.89 1upm s ILE 99 N -0.05 1.48 0.28 0.64 1.01 -0.85 -1.57 121.20 122.15 1upm s ILE 99 Ca 0.42 -0.63 0.11 0.00 0.00 0.00 0.00 60.65 60.55 1upm s ILE 99 Cb -0.22 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 1upm s ILE 99 CO 0.26 0.44 -0.13 0.00 0.00 0.00 0.00 174.94 175.51 1upm s ARG 100 N 0.97 1.88 -0.12 2.79 1.70 -0.31 -0.50 118.95 125.36 1upm s ARG 100 Ca -0.07 -1.69 -0.01 0.00 -0.47 0.00 0.00 55.73 53.49 1upm s ARG 100 Cb -0.15 -1.88 -0.02 0.00 -0.57 0.00 0.00 34.95 32.33 1upm s ARG 100 CO -0.01 0.31 -0.09 0.42 -1.08 0.00 0.00 175.30 174.86 1upm s ILE 101 N -2.47 3.48 0.25 4.99 1.01 -0.30 -2.03 121.20 126.14 1upm s ILE 101 Ca 0.31 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.50 1upm s ILE 101 Cb -0.05 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1upm s ILE 101 CO 0.17 0.53 -0.07 0.27 0.00 0.00 0.00 174.94 175.84 1upm s ILE 102 N 0.03 1.53 -0.04 2.92 -4.36 -0.07 -1.60 121.20 119.61 1upm s ILE 102 Ca -0.02 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 1upm s ILE 102 Cb -0.14 -2.31 0.02 0.00 1.25 0.00 0.00 42.46 41.28 1upm s ILE 102 CO 0.03 -0.39 -0.02 -0.83 0.24 0.00 0.00 174.94 173.98 1upm s GLY 103 N -3.38 0.34 -0.04 6.27 0.00 -0.35 -1.34 107.32 108.82 1upm s GLY 103 Ca 0.27 0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.97 1upm s GLY 103 CO 0.10 0.59 0.23 -1.36 0.00 0.00 0.00 173.10 172.66 1upm s PHE 104 N 1.07 3.61 -0.32 1.90 0.08 0.11 -0.88 117.98 123.55 1upm s PHE 104 Ca -0.09 0.61 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 1upm s PHE 104 Cb -0.14 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1upm s PHE 104 CO -0.01 0.67 0.14 0.34 -0.10 0.00 0.00 175.22 176.25 1upm s ASP 105 N -1.36 5.43 0.38 1.36 -1.08 -0.76 -1.15 116.67 119.49 1upm s ASP 105 Ca 0.22 -0.75 0.27 0.00 -0.52 0.00 0.00 52.55 51.76 1upm s ASP 105 Cb -0.13 -1.95 0.83 0.00 -1.46 0.00 0.00 42.92 40.20 1upm s ASP 105 CO 0.11 -0.25 1.76 0.77 0.52 0.00 0.00 175.17 178.08 1upm h SER 106 N 8.32 0.00 0.13 -0.34 4.64 -1.92 0.69 113.55 125.06 1upm h SER 106 Ca -0.29 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.77 1upm h SER 106 Cb 1.12 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1upm h SER 106 CO 0.62 0.00 -1.04 0.78 -0.87 0.00 0.00 176.83 176.32 1upm h ASN 107 N 0.00 0.79 0.40 4.97 2.35 -1.96 -3.30 115.58 118.83 1upm h ASN 107 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1upm h ASN 107 Cb 0.70 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1upm h ASN 107 CO 0.00 1.45 -1.27 0.54 -1.65 0.00 0.00 177.43 176.50 1upm n ARG 108 N -3.81 0.43 -3.59 0.81 1.74 -1.14 -5.00 116.66 106.11 1upm n ARG 108 Ca -0.10 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.67 1upm n ARG 108 Cb 0.89 -1.61 0.05 0.00 -1.02 0.00 0.00 32.46 30.76 1upm n ARG 108 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1upm n GLU 109 N -2.15 -1.54 -3.75 5.56 2.13 0.24 -5.01 120.64 116.13 1upm n GLU 109 Ca 0.00 0.55 -0.13 0.00 0.66 0.00 0.00 57.16 58.25 1upm n GLU 109 Cb 0.49 -4.53 -0.13 0.00 0.27 0.00 0.00 31.44 27.53 1upm n GLU 109 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1upm s VAL 110 N -3.45 -0.03 0.01 6.31 1.01 -1.14 -5.01 120.40 118.09 1upm s VAL 110 Ca 0.46 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1upm s VAL 110 Cb -0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1upm s VAL 110 CO 0.83 0.05 1.23 -1.10 0.00 0.00 0.00 175.10 176.11 1upm s GLN 111 N 0.99 4.38 -0.01 2.72 -0.21 -1.26 -1.83 119.66 124.44 1upm s GLN 111 Ca -0.07 1.76 0.18 0.00 0.02 0.00 0.00 55.36 57.25 1upm s GLN 111 Cb -0.09 -3.46 -0.23 0.00 1.00 0.00 0.00 33.01 30.23 1upm s GLN 111 CO -0.06 -0.37 0.62 0.00 -2.12 0.00 0.00 175.29 173.35 1upm s ILE 113 N -2.93 0.96 -0.25 0.00 -1.09 -1.20 -4.96 121.20 111.72 1upm s ILE 113 Ca 0.01 -0.47 -0.10 0.00 -2.23 0.00 0.00 60.65 57.87 1upm s ILE 113 Cb 0.13 -0.84 0.11 0.00 -1.58 0.00 0.00 42.46 40.27 1upm s ILE 113 CO 0.75 0.29 0.56 -0.55 -1.23 0.00 0.00 174.94 174.76 1upm s SER 114 N 0.08 -0.79 0.00 3.58 0.15 -1.26 -1.21 113.70 114.26 1upm s SER 114 Ca -0.02 1.33 -0.16 0.00 0.70 0.00 0.00 55.95 57.80 1upm s SER 114 Cb -0.09 1.77 0.03 0.00 -1.71 0.00 0.00 66.02 66.02 1upm s SER 114 CO 0.01 -0.22 0.34 0.72 1.20 0.00 0.00 173.24 175.29 1upm s PHE 115 N 2.54 -0.20 0.10 3.44 -0.12 -0.63 -4.38 117.98 118.73 1upm s PHE 115 Ca -0.05 0.25 -0.31 0.00 -0.05 0.00 0.00 56.93 56.77 1upm s PHE 115 Cb -0.11 0.13 -0.07 0.00 -0.63 0.00 0.00 43.02 42.34 1upm s PHE 115 CO -0.17 -0.45 1.27 -1.50 -0.05 0.00 0.00 175.22 174.32 1upm s ILE 116 N -1.72 3.68 -0.06 -4.49 1.10 -1.26 -1.15 121.20 117.31 1upm s ILE 116 Ca -0.11 1.25 0.05 0.00 -0.51 0.00 0.00 60.65 61.33 1upm s ILE 116 Cb -0.03 -3.80 -0.07 0.00 0.15 0.00 0.00 42.46 38.71 1upm s ILE 116 CO 0.02 0.12 0.13 0.00 -2.11 0.00 0.00 174.94 173.10 1upm n ALA 117 N 3.65 2.28 -3.38 1.50 0.00 0.35 -4.91 120.51 120.00 1upm n ALA 117 Ca 0.09 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 1upm n ALA 117 Cb 0.45 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 1upm n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1upm s TYR 118 N -2.10 -0.50 -0.02 0.00 5.04 -0.94 -5.00 117.35 113.83 1upm s TYR 118 Ca -0.01 1.18 0.04 0.00 -2.44 0.00 0.00 57.07 55.84 1upm s TYR 118 Cb 0.03 0.19 -0.01 0.00 0.35 0.00 0.00 41.96 42.52 1upm s TYR 118 CO 0.19 -0.30 -0.13 0.15 -1.34 0.00 0.00 175.55 174.12 1upm s LYS 119 N -0.03 1.14 1.19 4.97 1.02 -1.26 -2.00 119.74 124.75 1upm s LYS 119 Ca -0.02 -0.47 -0.19 0.00 0.02 0.00 0.00 55.97 55.30 1upm s LYS 119 Cb -0.03 -1.08 0.28 0.00 -0.52 0.00 0.00 37.83 36.48 1upm s LYS 119 CO 0.02 0.26 1.14 -1.25 -0.92 0.00 0.00 175.35 174.60 1upm s PRO 120 N -0.21 -1.11 0.13 -1.68 0.04 -1.24 -4.89 135.00 126.04 1upm s PRO 120 Ca 0.03 -0.16 -0.34 0.00 0.04 0.00 0.00 61.00 60.58 1upm s PRO 120 Cb -0.06 -1.62 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 1upm s PRO 120 CO -0.00 -3.62 1.64 0.00 0.04 0.00 0.00 177.00 175.06 1upm n ALA 121 N -4.68 1.50 -0.56 8.56 0.00 -1.26 -2.45 120.51 121.62 1upm n ALA 121 Ca 0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1upm n ALA 121 Cb 0.60 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1upm n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1upm n GLY 122 N 3.64 0.71 0.00 0.00 0.00 -1.26 -5.17 105.19 103.11 1upm n GLY 122 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1upm n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60